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Taurine ( CASNO:107-35-7 )

Identification and Related Records
Name:
Taurine
CAS Registry number:
107-35-7
Synonyms:
2-aminoethanesulfonic acid
aminoetylsulphonic acid
Aminoethylsulfonic acid (JAN)
2-aminoethyl sulfonate
beta-aminoethylsulfonic acid
Taufon
Aminoethylsulfonic acid
O-Due
2-Sulfoethylamine
Ethanesulfonic acid, 2-amino- (9CI)
Aminoethanesulfonic acid
Taurine (8CI)
Taukard
L-Taurine
2-Aminoethylsulfonic acid
2-azaniumylethanesulfonate
ethanesulfonic acid, 2-amino-
ethylaminesulphonic acid
2-aminoethylsulfonic acid, ethlaminosulfonic acid
2-Aminoethanesulphonic acid >99%
2-amino ethanesulfonic acid
Taurine JP8 (food, feed & pharmaceutical grade)
Taurine (P015)
2-Aminoethansulfonic

2-Amino ethyl sulfonic acid
EINECS(EC#):
203-483-8
Molecular Formula:
C2H7NO3S
Molecular Weight:
125.14
Inchi:
InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKey:
XOAAWQZATWQOTB-UHFFFAOYSA-N
Canonical SMILES:
C(CS(=O)(=O)O)N
Chemical and Physical Properties
Appearance:
White crystalline powder
Density:
1.494 g/cm3
Melting Point:
300℃
Refractive Index:
1.515
Flash Point:
300
Water:
5-10 g/100 mL at 23.5℃
Solubilities:
5-10 g/100 mL at 23.5 °C
Stability:
Stable. Incompatible with strong oxidizing agents.
HS Code:
29211980
Storage temp:
2-8°C
Computed Properties:
Molecular Weight:125.14688 [g/mol]
Molecular Formula:C2H7NO3S
XLogP3-AA:-4.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:125.014664
MonoIsotopic Mass:125.014664
Topological Polar Surface Area:88.8
Heavy Atom Count:7
Formal Charge:0
Complexity:120
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:3
Safety and Handling
Hazard Codes:
Xi: Irritant;
Risk Statements:
R36/37/38
Safety Statements:
S24/25
Safety:
Safety Information of Taurine (CAS NO.107-35-7):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38???
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: WX0175000
HS Code: 29211980
Specification:
?Taurine , its CAS NO. is 107-35-7, the synonyms are 2-Aminoethanesulfonic acid ; 2-Aminoethylsulfonic acid ; 2-Sulfoethylamine ; Tauphon ; Taurinum ; ?beta-Aminoethylsulfonic acid ; Ethanesulfonic acid, 2-amino- ; L-Taurine .
Use and Manufacturing
Usage:
An important amino acid in a number of metabolic processes.
Biomedical Effects and Toxicity
Biological Activity:
One of the most abundant free amino acids in the brain. A partial agonist at the inhibitory glycine receptor.
Pharmacological Action:
ACUTE/CHRONIC HAZARDS: Taurine evolves highly toxic fumes when heated to decomposition, and may cause irritation on contact.
Biomedical Effects and Toxicity:
One of the most abundant free amino acids in the brain. A partial agonist at the inhibitory glycine receptor.
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